KEGG   COMPOUND: C12188
Entry
C12188                      Compound                               
Name
Vasconine
Formula
C17H16NO2
Exact mass
266.1181
Mol weight
266.3144
Structure
Other DBs
PubChem: 14334
ChEBI: 32290
KNApSAcK: C00029179
NIKKAJI: J594.399J
LinkDB
KCF data

ATOM        20
            1   C8x C    26.8619  -19.1731
            2   C1x C    32.1876  -21.1905
            3   C1x C    32.7372  -20.0208
            4   C8x C    26.9087  -21.9208
            5   C8y C    25.6811  -19.8864
            6   C8y C    25.7045  -21.2543
            7   O2a O    24.4827  -21.9735
            8   C1a C    23.2551  -21.2837
            9   O2a O    24.4571  -19.2096
            10  C1a C    23.2369  -19.8952
            11  C8y C    31.6304  -19.1116
            12  C8x C    31.6180  -17.7365
            13  C8x C    30.4209  -17.0599
            14  C8x C    29.2364  -17.7580
            15  C8y C    30.4457  -19.8099
            16  C8y C    29.2496  -19.1331
            17  C8y C    28.0656  -19.8306
            18  C8y C    28.0774  -21.2047
            19  C8x C    29.2735  -21.8814
            20  N5y N    30.4577  -21.1841 #+
BOND        23
            1     5   9 1
            2    17   1 1
            3     9  10 1
            4    20   2 1
            5    11   3 1
            6    18   4 1
            7     1   5 2
            8    15  11 1
            9    11  12 2
            10   12  13 1
            11   13  14 2
            12   14  16 1
            13    4   6 2
            14    6   7 1
            15    7   8 1
            16    2   3 1
            17    5   6 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   20  15 1

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